N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

C9H14F2N2O3 — CID 142439260

IUPACN-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESCCC(F)(F)NC(=O)C1C(=O)NCCC1O
InChIInChI=1S/C9H14F2N2O3/c1-2-9(10,11)13-8(16)6-5(14)3-4-12-7(6)15/h5-6,14H,2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyQJLOVKOWJVDKMK-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.40
Rot. Bonds3

About N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (PubChem CID 142439260) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
PubChem CID142439260
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC NameN-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESCCC(F)(F)NC(=O)C1C(=O)NCCC1O
InChIInChI=1S/C9H14F2N2O3/c1-2-9(10,11)13-8(16)6-5(14)3-4-12-7(6)15/h5-6,14H,2-4H2,1H3,(H,12,15)(H,13,16)
InChIKeyQJLOVKOWJVDKMK-UHFFFAOYSA-N
XLogP-0.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (CID 142439260) is N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is CCC(F)(F)NC(=O)C1C(=O)NCCC1O.
What is the InChIKey of N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The InChIKey is QJLOVKOWJVDKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c1-2-9(10,11)13-8(16)6-5(14)3-4-12-7(6)15/h5-6,14H,2-4H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide has a molecular weight of 236.22 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142439260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).